============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. HIS 3 0.900 -22.136 20.278 -41.178 -99.200 -91.000 TYR 7 0.840 -27.554 7.409 -47.535 -99.200 -91.000 PHE 8 1.000 -34.430 12.710 -48.328 -99.200 -91.000 PHE 22 1.000 -36.058 -2.425 -56.389 -99.200 -91.000 TYR 27 0.840 -30.483 14.866 -51.192 -99.200 -91.000 PHE 33 1.000 -23.637 11.431 -49.332 -99.200 -91.000 PHE 36 1.000 -25.163 3.636 -54.115 -99.200 -91.000 TRP 51 1.040 -17.520 15.853 -50.769 -99.200 -91.000 TRP6 51 1.020 -19.130 14.548 -49.656 -99.200 -91.000 TYR 59 0.840 -18.339 5.079 -49.622 -99.200 -91.000 TRP 60 1.040 -19.450 2.730 -56.689 -99.200 -91.000 TRP6 60 1.020 -21.026 4.423 -56.175 -99.200 -91.000 PHE 67 1.000 -29.852 0.717 -54.978 -99.200 -91.000 TYR 84 0.840 -48.243 -6.438 -44.039 -99.200 -91.000 TYR 85 0.840 -52.061 -0.754 -46.416 -99.200 -91.000 HIS 93 0.900 -50.041 -0.516 -54.825 -99.200 -91.000 TYR 99 0.840 -31.356 5.254 -44.662 -99.200 -91.000 HIS 113 0.900 -34.630 12.843 -38.323 -99.200 -91.000 TYR 116 0.840 -39.047 1.990 -43.508 -99.200 -91.000 TYR 118 0.840 -48.012 0.401 -49.834 -99.200 -91.000 TYR 123 0.840 -46.639 0.367 -43.275 -99.200 -91.000 TRP 133 1.040 -40.224 0.072 -34.619 -99.200 -91.000 TRP6 133 1.020 -38.876 0.883 -36.390 -99.200 -91.000 TRP 147 1.040 -39.576 -4.241 -39.293 -99.200 -91.000 TRP6 147 1.020 -39.731 -2.065 -40.182 -99.200 -91.000 TYR 159 0.840 -26.954 3.989 -41.251 -99.200 -91.000 TRP 167 1.040 -18.793 5.268 -42.927 -99.200 -91.000 TRP6 167 1.020 -17.155 5.277 -44.628 -99.200 -91.000 TYR 171 0.840 -19.758 10.249 -46.179 -99.200 -91.000 HIS 188 0.900 -32.406 41.482 -58.170 -99.200 -91.000 HIS 191 0.900 -42.444 49.750 -60.058 -99.200 -91.000 HIS 192 0.900 -41.421 42.907 -62.100 -99.200 -91.000 HIS 197 0.900 -56.063 53.450 -59.517 -99.200 -91.000 TRP 204 1.040 -36.265 39.032 -57.996 -99.200 -91.000 TRP6 204 1.020 -36.715 37.124 -59.312 -99.200 -91.000 PHE 208 1.000 -31.578 31.010 -51.048 -99.200 -91.000 TYR 209 0.840 -25.362 24.285 -49.191 -99.200 -91.000 TRP 217 1.040 -42.152 41.923 -50.406 -99.200 -91.000 TRP6 217 1.020 -41.032 43.950 -50.850 -99.200 -91.000 PHE 241 1.000 -31.089 24.703 -52.534 -99.200 -91.000 TRP 244 1.040 -39.957 34.783 -57.476 -99.200 -91.000 TRP6 244 1.020 -42.220 35.354 -57.162 -99.200 -91.000 TYR 257 0.840 -46.011 47.932 -49.493 -99.200 -91.000 HIS 260 0.900 -37.921 43.524 -42.840 -99.200 -91.000 HIS 263 0.900 -28.505 31.759 -46.411 -99.200 -91.000 TRP 274 1.040 -38.701 50.768 -56.891 -99.200 -91.000 TRP6 274 1.020 -37.507 49.822 -58.708 -99.200 -91.000